| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:24 UTC |
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| Update Date | 2025-03-21 18:06:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060754 |
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| Frequency | 51.5 |
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| Structure | |
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| Chemical Formula | C8H9NO7S |
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| Molecular Mass | 263.01 |
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| SMILES | Cc1ncc(C(=O)OS(=O)(=O)O)c(CO)c1O |
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| InChI Key | QADVXFPYEBDSKX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | aromatic alcoholsulfuric acid monoesteraromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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